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l-Phenylalanine, N-methoxycarbonyl-, heptyl ester

View entire compound with spectra: 1 MS (GC)

l-Phenylalanine, N-methoxycarbonyl-, heptyl ester
SpectraBase Compound ID EeRMwK2FTAY
InChI InChI=1S/C18H27NO4/c1-3-4-5-6-10-13-23-17(20)16(19-18(21)22-2)14-15-11-8-7-9-12-15/h7-9,11-12,16H,3-6,10,13-14H2,1-2H3,(H,19,21)
InChIKey JKRWXZZRXXHNMR-UHFFFAOYSA-N
Mol Weight 321.42 g/mol
Molecular Formula C18H27NO4
Exact Mass 321.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 45ECCcjHqOu
Name l-Phenylalanine, N-methoxycarbonyl-, heptyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27NO4
InChI InChI=1S/C18H27NO4/c1-3-4-5-6-10-13-23-17(20)16(19-18(21)22-2)14-15-11-8-7-9-12-15/h7-9,11-12,16H,3-6,10,13-14H2,1-2H3,(H,19,21)
InChIKey JKRWXZZRXXHNMR-UHFFFAOYSA-N
Molecular Weight 321.417 g/mol
SMILES N(C(OC)=O)C(C(OCCCCCCC)=O)Cc1ccccc1
SPLASH splash10-0002-4910000000-f520c56195855b9494c6
Source of Spectrum NP-11-2773-0
Synonyms 2-(methoxycarbonylamino)-3-phenylpropanoic acid heptyl ester Heptyl 2-(methoxycarbonylamino)-3-phenylpropanoate Heptyl 2-(methoxycarbonylamino)-3-phenyl-propanoate
Wiley ID 1109487